ethyl 6-chloro-1-[3-(dimethylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[3-(methylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;6-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole

C124H136Cl4N16O11 — CID 157173373

About ethyl 6-chloro-1-[3-(dimethylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[3-(methylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;6-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole

ethyl 6-chloro-1-[3-(dimethylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[3-(methylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;6-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 157173373) has the molecular formula C124H136Cl4N16O11 and a molecular weight of 2168.36 g/mol. Its IUPAC name is ethyl 6-chloro-1-[3-(dimethylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[3-(methylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;6-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

• Compound Name: ethyl 6-chloro-1-[3-(dimethylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[3-(methylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;6-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
• PubChem CID: 157173373
• Molecular Formula: C124H136Cl4N16O11
• Molecular Weight: 2168.36 g/mol
• Exact Mass: 2164.93
• IUPAC Name: ethyl 6-chloro-1-[3-(dimethylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[3-(methylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;6-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
• SMILES: CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1C(C)Cc1ccc(C(C)C)cc1.CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(C(=O)NCCC2CCCN2C)cc1.CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(C(=O)N(C)C)c1.CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(C(=O)NC)c1.Cc1ccc2[nH]c3c(c2c1)CCN(c1cnccn1)C3c1ccc(C(C)C)cc1
• InChI: InChI=1S/C28H33ClN4O3.C26H31ClN2O2.C25H26N4.C23H24ClN3O3.C22H22ClN3O3/c1-3-36-28(35)33-16-13-22-23-17-20(29)10-11-24(23)31-25(22)26(33)18-6-8-19(9-7-18)27(34)30-14-12-21-5-4-15-32(21)2;1-5-31-26(30)29-13-12-21-22-15-20(27)10-11-23(22)28-24(21)25(29)17(4)14-18-6-8-19(9-7-18)16(2)3;1-16(2)18-5-7-19(8-6-18)25-24-20(21-14-17(3)4-9-22(21)28-24)10-13-29(25)23-15-26-11-12-27-23;1-4-30-23(29)27-11-10-17-18-13-16(24)8-9-19(18)25-20(17)21(27)14-6-5-7-15(12-14)22(28)26(2)3;1-3-29-22(28)26-10-9-16-17-12-15(23)7-8-18(17)25-19(16)20(26)13-5-4-6-14(11-13)21(27)24-2/h6-11,17,21,26,31H,3-5,12-16H2,1-2H3,(H,30,34);6-11,15-17,25,28H,5,12-14H2,1-4H3;4-9,11-12,14-16,25,28H,10,13H2,1-3H3;5-9,12-13,21,25H,4,10-11H2,1-3H3;4-8,11-12,20,25H,3,9-10H2,1-2H3,(H,24,27)
• InChIKey: ANSPUXAGKAQSEQ-UHFFFAOYSA-N
• XLogP: 26.47
• TPSA: 307.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2168.36
LogP ≤ 5	26.47
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-1-[3-(dimethylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[3-(methylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;6-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole?

The IUPAC name of ethyl 6-chloro-1-[3-(dimethylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[3-(methylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;6-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 157173373) is ethyl 6-chloro-1-[3-(dimethylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[3-(methylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;6-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

What is the SMILES notation for ethyl 6-chloro-1-[3-(dimethylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[3-(methylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;6-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole?

The canonical SMILES for ethyl 6-chloro-1-[3-(dimethylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[3-(methylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;6-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole is CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1C(C)Cc1ccc(C(C)C)cc1.CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(C(=O)NCCC2CCCN2C)cc1.CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(C(=O)N(C)C)c1.CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(C(=O)NC)c1.Cc1ccc2[nH]c3c(c2c1)CCN(c1cnccn1)C3c1ccc(C(C)C)cc1.

What is the InChIKey of ethyl 6-chloro-1-[3-(dimethylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[3-(methylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;6-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole?

The InChIKey is ANSPUXAGKAQSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN4O3.C26H31ClN2O2.C25H26N4.C23H24ClN3O3.C22H22ClN3O3/c1-3-36-28(35)33-16-13-22-23-17-20(29)10-11-24(23)31-25(22)26(33)18-6-8-19(9-7-18)27(34)30-14-12-21-5-4-15-32(21)2;1-5-31-26(30)29-13-12-21-22-15-20(27)10-11-23(22)28-24(21)25(29)17(4)14-18-6-8-19(9-7-18)16(2)3;1-16(2)18-5-7-19(8-6-18)25-24-20(21-14-17(3)4-9-22(21)28-24)10-13-29(25)23-15-26-11-12-27-23;1-4-30-23(29)27-11-10-17-18-13-16(24)8-9-19(18)25-20(17)21(27)14-6-5-7-15(12-14)22(28)26(2)3;1-3-29-22(28)26-10-9-16-17-12-15(23)7-8-18(17)25-19(16)20(26)13-5-4-6-14(11-13)21(27)24-2/h6-11,17,21,26,31H,3-5,12-16H2,1-2H3,(H,30,34);6-11,15-17,25,28H,5,12-14H2,1-4H3;4-9,11-12,14-16,25,28H,10,13H2,1-3H3;5-9,12-13,21,25H,4,10-11H2,1-3H3;4-8,11-12,20,25H,3,9-10H2,1-2H3,(H,24,27).

What are the key properties of ethyl 6-chloro-1-[3-(dimethylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[3-(methylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;6-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole?

ethyl 6-chloro-1-[3-(dimethylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[3-(methylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;6-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 2168.36 g/mol, XLogP of 26.47, 20 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-chloro-1-[3-(dimethylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[3-(methylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;6-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 157173373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).